| Compound Information | SONAR Target prediction |
| Name: | Papaverine hydrochloride |
| Unique Identifier: | LOPAC 00582 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C20ClH22NO4 |
| Molecular Weight: | 353.671 g/mol |
| X log p: | 15.994 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 49.28 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | Cl.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
| Class: | Cyclic Nucleotides |
| Action: | Inhibitor |
| Selectivity: | PDE |
| Generic_name: | Papaverine |
| Chemical_iupac_name: | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450779 |
| Drugbank_id: | APRD00628 |
| Logp: | 3.72 |
| Cas_registry_number: | 61-25-6 |
| Drug_category: | Vasodilator Agents; ATC:A03AD01; ATC:G04BE02 |
| Indication: | Impotence |
| Pharmacology: | Papaverine is a nonxanthine phosphodiesterase inhibitor for the relief of cerebral and peripheral ischemia associated with arterial spasm and myocardial ischemia complicated by arrhythmias. The main actions of Papaverine are exerted on cardiac and smooth muscle. Like qathidine, Papaverine acts directly on the heart muscle to depress conduction and prolong the refractory period. Papaverine relaxes various smooth muscles. This relaxation may be prominent if spasm exists. The muscle cell is not paralyzed by Papaverine and still responds to drugs and other stimuli causing contraction. The antispasmodic effect is a direct one, and unrelated to muscle innervation. Papaverine is practically devoid of effects on the central nervous system. Papaverine relaxes the smooth musculature of the larger blood vessels, especially coronary, systemic peripheral, and pulmonary arteries. |
| Mechanism_of_action: | Perhaps by its direct vasodilating action on cerebral blood vessels, Papaverine increases cerebral blood flow and decreases cerebral vascular resistance in normal subjects; oxygen consumption is unaltered. These effects may explain the benefit reported from the drug in cerebral vascular encephalopathy. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 21 22 23 24 Next >> [24] |
| Species: | 4932 |
| Condition: | WHI3 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6908±0 |
| Normalized OD Score: sc h | 0.9956±0.00777058 |
| Z-Score: | -0.1317±0.258008 |
| p-Value: | 0.856474 |
| Z-Factor: | -10.1426 |
| Fitness Defect: | 0.1549 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 9 | << Back 1 2 |
| 3029071 | 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]isoquinoline hydrochloride |
| 3029072 | 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]isoquinoline |
| 3083940 | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline hydrobromide |
| internal high similarity DBLink | Rows returned: 3 |
| SPE01501000 | 0.9057 |
| SB 01383 | 1.0000 |
| SPE01500459 | 1.0000 |
| active | Cluster 1145 | Additional Members: 7 | Rows returned: 2 |
| SPE01501000 | 0.4 |
| Prest1049 | 0.4 |
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